SCHEMBL256945

SCHEMBL256945

NCC(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.61
FEN1 P39748 2/20 0.61
TSHR P16473 1/20 0.59
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
PNMT P11086 1/20 0.47
MGAM O43451 1/20 0.47
AMY1A P0DUB6 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
P2RX7 Q99572 4/20 0.46
JAK2 O60674 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL30567820 0.98 ERCC5 (0.59) ERCC5FEN1TSHRTAS1R3TAS1R1
Hydrochloric Acid SCHEMBL9854847 0.98 ERCC5 (0.59) ERCC5FEN1TSHRTAS1R3TAS1R1
SCHEMBL1318546 0.83 ERCC5 (0.58) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL30839506 0.83 ERCC5 (0.58) ERCC5FEN1CES2CES1ALDH1A1
Hydrochloric Acid SCHEMBL23780883 0.82 ERCC5 (0.56) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL3142115 0.82 ERCC5 (0.62) ERCC5FEN1TSHRTAS1R3TAS1R1
SCHEMBL30547190 0.80 ERCC5 (0.61) ERCC5FEN1TSHRTAS1R3TAS1R1
SCHEMBL15189611 0.80 ERCC5 (0.61) ERCC5FEN1TSHRTAS1R3TAS1R1
SCHEMBL2255346 0.80 ERCC5 (0.61) ERCC5FEN1TSHRTAS1R3TAS1R1
SCHEMBL1199039 0.80 ERCC5 (0.61) ERCC5FEN1TSHRTAS1R3TAS1R1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174910-B1 PROCESS FOR THE PREPARATION OF 4-PHENYL-PYRROLE DERIVATIVES CIBA-GEIGY AG (CH) 1990-04-04 EP claimed
US-4812580-A FROM A PHENACYLAMINE AND ACRYLONITRILE DERIVATIVE, CYCLIZATION, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1989-03-14 US claimed
EP-0174910-A2 Process for the preparation of 4-phenyl-pyrrole derivatives CIBA-GEIGY AG (CH) 1986-03-19 EP claimed
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
EP-2619188-B1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-05-06 EP disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
WO-2012028644-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 WO disclosed
US-4981990-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1991-01-01 US disclosed
EP-0174910-B1 PROCESS FOR THE PREPARATION OF 4-PHENYL-PYRROLE DERIVATIVES CIBA-GEIGY AG (CH) 1990-04-04 EP disclosed
US-4812580-A FROM A PHENACYLAMINE AND ACRYLONITRILE DERIVATIVE, CYCLIZATION, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1989-03-14 US disclosed
US-4709053-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1987-11-24 US disclosed
EP-0174910-A2 Process for the preparation of 4-phenyl-pyrrole derivatives CIBA-GEIGY AG (CH) 1986-03-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF TNNT2, TNNI3, PNMT ERCC5 3953/4885FEN1 2627/4885TSHR 3359/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.